[1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[[2,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20Cl2N2O5S2 MolecularWeight: 491.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H20Cl2N2O5S2/c1-12(18(24)22-16-11-14(20)4-5-15(16)21)28-19(25)13-6-8-23(9-7-13)30(26,27)17-3-2-10-29-17/h2-5,10-13H,6-9H2,1H3,(H,22,24)